5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide

C20H25Cl2N3O4S — CID 5307454

IUPAC5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1
InChIInChI=1S/C20H25Cl2N3O4S/c1-2-24-10-12-25(13-11-24)9-8-23-20(26)18-7-6-15(29-18)14-30(27,28)19-16(21)4-3-5-17(19)22/h3-7H,2,8-14H2,1H3,(H,23,26)
InChIKeyRZZQGRUSGUEECL-UHFFFAOYSA-N
MW474.41 g/mol
LogP2.93
Rot. Bonds8

About 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide

5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide (PubChem CID 5307454) has the molecular formula C20H25Cl2N3O4S and a molecular weight of 474.41 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
PubChem CID5307454
Molecular FormulaC20H25Cl2N3O4S
Molecular Weight474.41 g/mol
Exact Mass473.09
IUPAC Name5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
SMILESCCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1
InChIInChI=1S/C20H25Cl2N3O4S/c1-2-24-10-12-25(13-11-24)9-8-23-20(26)18-7-6-15(29-18)14-30(27,28)19-16(21)4-3-5-17(19)22/h3-7H,2,8-14H2,1H3,(H,23,26)
InChIKeyRZZQGRUSGUEECL-UHFFFAOYSA-N
XLogP2.93
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 5309150
5-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 92687419
N-[(2-chlorophenyl)methyl]-5-[(2-ethylphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859683
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840822
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 3240515
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859714
N-(3-morpholin-4-ylpropyl)-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]furan-2-carboxamide
CID 3244186
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
5-[(3-chlorophenyl)methylsulfonylmethyl]-N-[3-(3-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 20968740
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
5-[[benzyl-[(4-fluorophenyl)methyl]amino]methyl]-N-(2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42753633

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide (CID 5307454) is 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide is CCN1CCN(CCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is RZZQGRUSGUEECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O4S/c1-2-24-10-12-25(13-11-24)9-8-23-20(26)18-7-6-15(29-18)14-30(27,28)19-16(21)4-3-5-17(19)22/h3-7H,2,8-14H2,1H3,(H,23,26).
What are the key properties of 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide?
5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 474.41 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)sulfonylmethyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 5307454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).